N-Ethyl-2-fluoro-5-nitrobenzamide

Base Information

• Chemical Name: N-Ethyl-2-fluoro-5-nitrobenzamide
• CAS No.: 682757-54-6
• Molecular Formula: C9H9FN2O3
• Molecular Weight: 212.18
• DSSTox Substance ID: DTXSID70655945
• Wikidata: Q82570338
• Mol file: 682757-54-6.mol

Synonyms:N-ETHYL-2-FLUORO-5-NITROBENZAMIDE;682757-54-6;SCHEMBL5906595;DTXSID70655945;MIKHREUGNSJTED-UHFFFAOYSA-N

Chemical Property of N-Ethyl-2-fluoro-5-nitrobenzamide

Chemical Property:

• PSA: 78.41000
• LogP: 2.58160
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.05972032
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

N-ETHYL-2-FLUORO-5-NITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

Technology Process of N-Ethyl-2-fluoro-5-nitrobenzamide

There total 3 articles about N-Ethyl-2-fluoro-5-nitrobenzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 36.0%

2-fluoro-5-nitrobenzoyl chloride (709-46-6) + ethanamine hydrochloride (557-66-4) → N-ethyl 2-fluoro-5-nitrobenzamide (682757-54-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 15h;

DOI:10.1055/s-0034-1378839

Reference yield:

2-fluoro-5-nitrobenzoic acid (7304-32-7) → N-ethyl 2-fluoro-5-nitrobenzamide (682757-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 20 °C

2: triethylamine / dichloromethane / 15 h / 0 - 20 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1055/s-0034-1378839

Reference yield:

→ N-ethyl 2-fluoro-5-nitrobenzamide (682757-54-6)

Guidance literature:

upstream raw materials:

2-fluoro-5-nitrobenzoyl chloride

ethanamine hydrochloride

2-fluoro-5-nitrobenzoic acid